SCHEMBL8900917

SCHEMBL8900917

C=CCOC(=O)c1ccc2c3cccc4c(C(=O)OCC=C)ccc(c5cccc1c52)c43

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.62
ALDH1A1 P00352 5/20 0.54
HSD17B10 Q99714 3/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.41
FGFR1 P11362 2/20 0.40
RHOA P61586 1/20 0.40
MEN1 O00255 4/20 0.39
MAPT P10636 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPK1 P28482 3/20 0.39
SNCA P37840 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8900925 0.94 CYP3A4 (0.55) CYP3A4ALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL17386427 0.86 CYP3A4 (0.76) CYP3A4ALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL960227 0.86 CYP3A4 (0.76) CYP3A4ALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL10611118 0.81 CYP3A4 (0.71) CYP3A4ALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL2115719 0.81 CYP3A4 (0.72) CYP3A4ALDH1A1HSD17B10TSHRMAPT
SCHEMBL16371573 0.77 CYP3A4 (1.00) CYP3A4ALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL29362146 0.77 CYP3A4 (1.00) CYP3A4ALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL15174 0.77 CYP3A4 (1.00) CYP3A4ALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL28350048 0.77 CYP3A4 (0.71) CYP3A4ALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL15389482 0.76 CYP3A4 (0.65) CYP3A4ALDH1A1HSD17B10TSHRSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5700897-A Method for making fluorescent polymers OPTICAL SENSORS INCORPORATED (US) 1997-12-23 US claimed